M410-0439 Screening compound: N-{2-methyl-5-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}-2H-1,3-benzodioxole-5-carboxamide

M410-0439 Screening compound: N-{2-methyl-5-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}-2H-1,3-benzodioxole-5-carboxamide
M410-0439 Screening compound: N-{2-methyl-5-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M410-0439
N-{2-methyl-5-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}-2H-1,3-benzodioxole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M410-0439

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

N-{2-methyl-5-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]thiophen-3-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{2-methyl-5-[5-(propan-2-yl)-134-oxadiazol-2-yl]thiophen-3-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)c1nnc(-c2cc(NC(c(cc3)cc4c3OCO4)=O)c(C)s2)o1

InChI

InChI=1S/C18H17N3O4S/c1-9(2)17-20-21-18(25-17)15-7-12(10(3)26-15)19-16(22)11-4-5-13-14(6-11)24-8-23-13/h4-7,9H,8H2,1-3H3,(H,19,22)

InChI Key

HWKPQEGHLRJJND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-4.03

Polar Surface Area

71.281

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M410-0439 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with M410-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M410-0439?
Check Price and Availability of M410-0439, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M410-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M410-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M410-0439
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M410-0439 available by request